1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane

C7H6F10 — CID 12613476

IUPAC1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane
SMILESCC(CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10/c1-3(5(10,11)7(15,16)17)2-4(8,9)6(12,13)14/h3H,2H2,1H3
InChIKeyOAOIBSFNOBZDOY-UHFFFAOYSA-N
MW280.11 g/mol
LogP4.41
Rot. Bonds3

About 1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane

1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane (PubChem CID 12613476) has the molecular formula C7H6F10 and a molecular weight of 280.11 g/mol. Its IUPAC name is 1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane.

Molecular Properties

Compound Name1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane
PubChem CID12613476
Molecular FormulaC7H6F10
Molecular Weight280.11 g/mol
Exact Mass280.03
IUPAC Name1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane
SMILESCC(CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10/c1-3(5(10,11)7(15,16)17)2-4(8,9)6(12,13)14/h3H,2H2,1H3
InChIKeyOAOIBSFNOBZDOY-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane?
The IUPAC name of 1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane (CID 12613476) is 1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane.
What is the SMILES notation for 1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane?
The canonical SMILES for 1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane is CC(CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane?
The InChIKey is OAOIBSFNOBZDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10/c1-3(5(10,11)7(15,16)17)2-4(8,9)6(12,13)14/h3H,2H2,1H3.
What are the key properties of 1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane?
1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane has a molecular weight of 280.11 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,5,5,6,6,6-decafluoro-3-methylhexane is sourced from PubChem (CID 12613476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).